Basic information
- Standard SMILES
CCOC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)NCCCc2cnc[nH]2)CC1- InChIKey
CLLGBEUAFDPDTA-HHHXNRCGSA-N- Molecular formula
- C31H45N5O5
- Average molar mass
- 567.7 g/mol
Names & identifiers
- Preferred name
- ethyl 4-cyclohexyl-1-[(R)-2-{3-[3-(3H-imidazol-4-yl)propyl]ureido}-3-(4-methoxyphenyl)propionyl]-piperidine-4-carboxylate
- IUPAC
- ethyl 4-cyclohexyl-1-[(2R)-2-[3-(1H-imidazol-5-yl)propylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylate
Names & synonyms
SCHEMBL1324264CLLGBEUAFDPDTA-HHHXNRCGSA-Nethyl 4-cyclohexyl-1-[(R)-2-{3-[3-(3H-imidazol-4-yl)propyl]ureido}-3-(4-methoxyphenyl)propionyl]-piperidine-4-carboxylate
Database identifiers
- PubChem CID
- 46194157
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 835
Related reactions
1 records
Compound notes
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